Tsuneyuki Research Group

Tsuneyuki Group Homepage

Welcome to the home page of our research group! Our group is headed by Professor Shinji Tsuneyuki. We investigate electronic and structural properties of materials with first-principles calculations.

News & Topics

A theoretical study which proposes a method for constructing the exchange-correlation potential, a fundamental element of first principles calculations, through a learning by a neural network has been published as a preprint.
This is a collaboration work with undergraduate students, Mr. Nagai and Mr. Sasaki, which has been initiated through an under-graduate program Riron Enshu.
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2018.2.09

A collaboration study with a Russian group (Prof. Artem Oganov) has been published in Physical Review B where we performed a comprehensive search for new phases in the H-S system, known to be a high-temperature superconductor under high pressure, and built a refined composition-pressure phase diagram including new structures by using a combination of the evolutionary algorithm and the density functional theory for superconductors. Akashi (Assistant Prof.) and Yoshikawa (Ph.D student) participated in this work.
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2017.12.21

Naito (Ph.D student) and his colleagues investigated a contribution of Coulomb interaction to binding energies of several nuclei from 4He to 208Pb by using GGA energy density functionals for electron systems and experimental charge distributions.
This work was made public as a preprint.
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2017.12.18

Tanaka (Ph.D student) and his colleagues theoretically revealed that the electronic entropy enhances the laser ablation process of metals. This work was made public as a preprint.
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2017.7.3

The study by Akashi (Assistant Prof.) and colleagues, that proposes an universal mechanism for the formation of flat bands in crystals induced by interplay of the stacking pattern and interference of Bloch phase, was published from Physical Review B.
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2017.6.2

Tsujimoto (Ph.D student) and his colleagues developed an efficient method to search atomic structures of huge systems, by including experimental X-ray diffraction datas into the cost function. This work was made public as a preprint.
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2017.5.24

The study by Katow (Ph.D student) and colleagues was published from Physical Review B. Its preprint was made public in Sep. 9th, 2016.
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2017.3.29

The study by Kitatani (Ph.D student) and colleagues was published from Physical Review B. A preprint was made public in Sep. 19th, 2016.
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2017.2.3

The study of Yamada (Ph.D student) and his colleagues, which was in public as a preprint in Nov. 19th, 2016, was published from Physical Review B.
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2017.1.5

Yamada (Ph.D student) and his colleagues developed an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT). A preprint of their work was posted on the arXive.
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2016.11.19

Sato (Ph.D student) and Tsuneyuki (prof.) investigated the electronic structure of unsinthesized perovskite-type oxyhydride KTiO2H using first-principles calculations, and revealed two-dimensional property and high polarization of KTiO2H.
Their work was published from Applied Physical Letters.
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2016.10.26

Kawamura (Ph.D. alumnus) and his colleagues revealed the origin of highly anisotropic superconducting gap of YNi2B2C based on the density functional theory for superconductors.
This work is based on his study of doctoral thesis.
A preprint of their work was posted on the arXive.
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2016.10.24

Kitatani (Ph.D student) and his colleagues studied interplay of Pomeranchuk instability and d-wave supercunductivity for the repulsive Hubbard model on the square lattice. A preprint of their work was posted on the arXive.
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2016.9.19

Katow (Ph.D student) and his colleagues theoretically investigeted the stability of excitonic many-body bound states in diamond, and a preprint of their work was posted on the arXive.
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2016.9.9

Akashi (assistant prof.) and his colleagues revealed the new crystal structure of sulfur hydride called "Magnéli phase" by ab-initio calculation. Their work was published from Physical Review Letters.
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2016.8.10

A joint group of theorists and experimentalists investigated the electronic structure of Fe thin layer grown on the Cu(001) surface, and their work has been published from Physical Review B. Tatetsu(Postdoc) in our lab. participated in this study on the theoretical part.
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